(2R,3R,4R,5R)-6-[(2-methylpropan-2-yl)oxy]hexane-1,2,3,4,5-pentol

C10H22O6 — CID 170654409

IUPAC(2R,3R,4R,5R)-6-[(2-methylpropan-2-yl)oxy]hexane-1,2,3,4,5-pentol
SMILESCC(C)(C)OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C10H22O6/c1-10(2,3)16-5-7(13)9(15)8(14)6(12)4-11/h6-9,11-15H,4-5H2,1-3H3/t6-,7-,8-,9-/m1/s1
InChIKeyYWYMZVHAAHNXDG-FNCVBFRFSA-N
MW238.28 g/mol
LogP-1.76
Rot. Bonds6

About (2R,3R,4R,5R)-6-[(2-methylpropan-2-yl)oxy]hexane-1,2,3,4,5-pentol

(2R,3R,4R,5R)-6-[(2-methylpropan-2-yl)oxy]hexane-1,2,3,4,5-pentol (PubChem CID 170654409) has the molecular formula C10H22O6 and a molecular weight of 238.28 g/mol. Its IUPAC name is (2R,3R,4R,5R)-6-[(2-methylpropan-2-yl)oxy]hexane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-6-[(2-methylpropan-2-yl)oxy]hexane-1,2,3,4,5-pentol
PubChem CID170654409
Molecular FormulaC10H22O6
Molecular Weight238.28 g/mol
Exact Mass238.14
IUPAC Name(2R,3R,4R,5R)-6-[(2-methylpropan-2-yl)oxy]hexane-1,2,3,4,5-pentol
SMILESCC(C)(C)OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C10H22O6/c1-10(2,3)16-5-7(13)9(15)8(14)6(12)4-11/h6-9,11-15H,4-5H2,1-3H3/t6-,7-,8-,9-/m1/s1
InChIKeyYWYMZVHAAHNXDG-FNCVBFRFSA-N
XLogP-1.76
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 5-1.76
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze (2R,3R,4R,5R)-6-[(2-methylpropan-2-yl)oxy]hexane-1,2,3,4,5-pentol with MolForge

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Related Compounds

(2R,3R,4R,5R)-6-methoxyhexane-1,2,3,4,5-pentol
CID 18653298
hexane-1,2,3,4,5,6-hexol;methanol
CID 174767977
(2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 135394797
(2R,5S)-hexane-1,2,3,4,5,6-hexol
CID 88909362
(2R,3S,4S,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 87912891
(2S,3S,4R,5S)-3,4-dimethoxy-1,6-bis[(2-methylpropan-2-yl)oxy]hexane-2,5-diol
CID 100936590
(2S,3S,4S,5S)-7,7-dimethyloctane-1,2,3,4,5-pentol
CID 58201913
4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentan-2-ol;2-(2,2-dimethylpropyl)-4,4-dimethylpentan-1-ol
CID 162148938
(2S,3R,4R,5R)-6-(deuteriomethoxy)hexane-1,2,3,4,5-pentol
CID 140946024
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;zinc
CID 88619828
CID 87266813
CID 87266813
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;methane
CID 155195650

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-6-[(2-methylpropan-2-yl)oxy]hexane-1,2,3,4,5-pentol?
The IUPAC name of (2R,3R,4R,5R)-6-[(2-methylpropan-2-yl)oxy]hexane-1,2,3,4,5-pentol (CID 170654409) is (2R,3R,4R,5R)-6-[(2-methylpropan-2-yl)oxy]hexane-1,2,3,4,5-pentol.
What is the SMILES notation for (2R,3R,4R,5R)-6-[(2-methylpropan-2-yl)oxy]hexane-1,2,3,4,5-pentol?
The canonical SMILES for (2R,3R,4R,5R)-6-[(2-methylpropan-2-yl)oxy]hexane-1,2,3,4,5-pentol is CC(C)(C)OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3R,4R,5R)-6-[(2-methylpropan-2-yl)oxy]hexane-1,2,3,4,5-pentol?
The InChIKey is YWYMZVHAAHNXDG-FNCVBFRFSA-N. The full InChI is InChI=1S/C10H22O6/c1-10(2,3)16-5-7(13)9(15)8(14)6(12)4-11/h6-9,11-15H,4-5H2,1-3H3/t6-,7-,8-,9-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-6-[(2-methylpropan-2-yl)oxy]hexane-1,2,3,4,5-pentol?
(2R,3R,4R,5R)-6-[(2-methylpropan-2-yl)oxy]hexane-1,2,3,4,5-pentol has a molecular weight of 238.28 g/mol, XLogP of -1.76, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-6-[(2-methylpropan-2-yl)oxy]hexane-1,2,3,4,5-pentol is sourced from PubChem (CID 170654409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).